scholarly journals Molecular Tailoring Approach for the Estimation of Intramolecular Hydrogen Bond Energy

Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2928
Author(s):  
Milind M. Deshmukh ◽  
Shridhar R. Gadre
Keyword(s):  
State Of The Art ◽  
Noncovalent Interactions ◽  
Reliable Estimate ◽  
Biological Processes ◽  
Hydrogen Bond Energy ◽  
Energy Estimation ◽  
Theoretical Methods ◽  
The Past ◽  
Intramolecular Hydrogen ◽  
Molecular Tailoring

Hydrogen bonds (HBs) play a crucial role in many physicochemical and biological processes. Theoretical methods can reliably estimate the intermolecular HB energies. However, the methods for the quantification of intramolecular HB (IHB) energy available in the literature are mostly empirical or indirect and limited only to evaluating the energy of a single HB. During the past decade, the authors have developed a direct procedure for the IHB energy estimation based on the molecular tailoring approach (MTA), a fragmentation method. This MTA-based method can yield a reliable estimate of individual IHB energy in a system containing multiple H-bonds. After explaining and illustrating the methodology of MTA, we present its use for the IHB energy estimation in molecules and clusters. We also discuss the use of this method by other researchers as a standard, state-of-the-art method for estimating IHB energy as well as those of other noncovalent interactions.

scholarly journals Estimation of Intramolecular Hydrogen Bond Energy via Molecular Tailoring Approach

2006 ◽  
Vol 110 (45) ◽  
pp. 12519-12523 ◽  
Author(s):  
Milind M. Deshmukh ◽  
Shridhar R. Gadre ◽  
Libero J. Bartolotti
Keyword(s):  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Bond Energy ◽  
Hydrogen Bond Energy ◽  
Intramolecular Hydrogen ◽  
Molecular Tailoring

The Underlying Chemistry of Self-Healing Materials

MRS Bulletin ◽  
2008 ◽  
Vol 33 (8) ◽  
pp. 759-765 ◽  
Author(s):  
Kyle A. Williams ◽  
Daniel R. Dreyer ◽  
Christopher W. Bielawski
Keyword(s):  
Ring Opening ◽  
State Of The Art ◽  
Noncovalent Interactions ◽  
Self Healing ◽  
Covalent Bonds ◽  
The Past ◽  
Ring Opening Reactions ◽  
Ligand Interactions ◽  
Reversible Covalent ◽  
Metal Ligand

AbstractOver the past ten years, a broad range of self-healing materials, systems that can detect when they have been damaged and heal themselves either spontaneously or with the aid of a stimulus, has emerged. Although many unique compositions and components are used to create these materials, they all employ basic chemical reactions to facilitate repair processes. Kinetically controlled ring-opening reactions and reversible metal–ligand interactions have proven useful in autonomic self-healing materials, which require no stimulus (other than the formation of damage) for operation. In contrast, nonautonomic self-healing materials, which require some type of externally applied stimulus (such as heat or light) to enable healing functions, have capitalized on chemistries that utilize either reversible covalent bonds or various types of noncovalent interactions. This review describes the underlying chemistries used in state-of-the-art self-healing materials, as well as those currently in development.

scholarly journals Estimation of Intramolecular Hydrogen Bond Energy via Molecular Tailoring Approach

2007 ◽  
Vol 111 (42) ◽  
pp. 10885-10885 ◽  
Author(s):  
Milind M. Deshmukh ◽  
Shridhar R. Gadre ◽  
Libero J. Bartolotti
Keyword(s):  
Hydrogen Bond ◽  
Intramolecular Hydrogen Bond ◽  
Bond Energy ◽  
Hydrogen Bond Energy ◽  
Intramolecular Hydrogen ◽  
Molecular Tailoring

Fluorescent potentiometric dyes for membrane-potential imaging

1994 ◽  
Vol 52 ◽  
pp. 166-167
Author(s):  
Leslie M. Loew
Keyword(s):  
Membrane Potential ◽  
Single Cells ◽  
Quantitative Imaging ◽  
Optical Recording ◽  
Biological Processes ◽  
Major Focus ◽  
The Past ◽  
Excitable Systems ◽  
Major Application ◽  
The Impact

A major application of potentiometric dyes has been the multisite optical recording of electrical activity in excitable systems. After being championed by L.B. Cohen and his colleagues for the past 20 years, the impact of this technology is rapidly being felt and is spreading to an increasing number of neuroscience laboratories. A second class of experiments involves using dyes to image membrane potential distributions in single cells by digital imaging microscopy - a major focus of this lab. These studies usually do not require the temporal resolution of multisite optical recording, being primarily focussed on slow cell biological processes, and therefore can achieve much higher spatial resolution. We have developed 2 methods for quantitative imaging of membrane potential. One method uses dual wavelength imaging of membrane-staining dyes and the other uses quantitative 3D imaging of a fluorescent lipophilic cation; the dyes used in each case were synthesized for this purpose in this laboratory.

A Macintosh Interface for the Cameca Camebax-Micro Electron Microprobe

1990 ◽  
Vol 48 (1) ◽  
pp. 438-439
Author(s):  
Carl E. Henderson
Keyword(s):  
Electron Microprobe ◽  
Processing Speed ◽  
Word Processing ◽  
State Of The Art ◽  
Computer Control ◽  
Third Party ◽  
Disk Storage ◽  
The Past ◽  
User Facility ◽  
Instrument Control

Over the past few years it has become apparent in our multi-user facility that the computer system and software supplied in 1985 with our CAMECA CAMEBAX-MICRO electron microprobe analyzer has the greatest potential for improvement and updating of any component of the instrument. While the standard CAMECA software running on a DEC PDP-11/23+ computer under the RSX-11M operating system can perform almost any task required of the instrument, the commands are not always intuitive and can be difficult to remember for the casual user (of which our laboratory has many). Given the widespread and growing use of other microcomputers (such as PC’s and Macintoshes) by users of the microprobe, the PDP has become the “oddball” and has also fallen behind the state-of-the-art in terms of processing speed and disk storage capabilities. Upgrade paths within products available from DEC are considered to be too expensive for the benefits received. After using a Macintosh for other tasks in the laboratory, such as instrument use and billing records, word processing, and graphics display, its unique and “friendly” user interface suggested an easier-to-use system for computer control of the electron microprobe automation. Specifically a Macintosh IIx was chosen for its capacity for third-party add-on cards used in instrument control.

Comparison and Analysis of Computational Methods for Identifying N6 - methyladenosine Sites in Saccharomyces Cerevisiae

2020 ◽  
Vol 26 ◽  
Author(s):  
Pengmian Feng ◽  
Lijing Feng ◽  
Chaohui Tang
Keyword(s):  
Saccharomyces Cerevisiae ◽  
Computational Methods ◽  
Computational Analysis ◽  
Computational Prediction ◽  
Experimental Methods ◽  
Biological Processes ◽  
Biological Functions ◽  
Precise Location ◽  
Future Directions ◽  
The Past

Background and Purpose: N 6 -methyladenosine (m6A) plays critical roles in a broad set of biological processes. Knowledge about the precise location of m6A site in the transcriptome is vital for deciphering its biological functions. Although experimental techniques have made substantial contributions to identify m6A, they are still labor intensive and time consuming. As good complements to experimental methods, in the past few years, a series of computational approaches have been proposed to identify m6A sites. Methods: In order to facilitate researchers to select appropriate methods for identifying m6A sites, it is necessary to give a comprehensive review and comparison on existing methods. Results: Since researches on m6A in Saccharomyces cerevisiae are relatively clear, in this review, we summarized recent progresses on computational prediction of m6A sites in S. cerevisiae and assessed the performance of existing computational methods. Finally, future directions of computationally identifying m6A sites were presented. Conclusion: Taken together, we anticipate that this review will provide important guides for computational analysis of m 6A modifications.

scholarly journals In vivo interactome profiling by enzyme‐catalyzed proximity labeling

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Yangfan Xu ◽  
Xianqun Fan ◽  
Yang Hu
Keyword(s):  
State Of The Art ◽  
Catalytic Efficiency ◽  
Biological Processes ◽  
Protein Protein Interaction ◽  
Current State ◽  
Protein Interactome ◽  
Potential Applications ◽  
Protein Protein Interaction Networks ◽  
Temporal And Spatial

AbstractEnzyme-catalyzed proximity labeling (PL) combined with mass spectrometry (MS) has emerged as a revolutionary approach to reveal the protein-protein interaction networks, dissect complex biological processes, and characterize the subcellular proteome in a more physiological setting than before. The enzymatic tags are being upgraded to improve temporal and spatial resolution and obtain faster catalytic dynamics and higher catalytic efficiency. In vivo application of PL integrated with other state of the art techniques has recently been adapted in live animals and plants, allowing questions to be addressed that were previously inaccessible. It is timely to summarize the current state of PL-dependent interactome studies and their potential applications. We will focus on in vivo uses of newer versions of PL and highlight critical considerations for successful in vivo PL experiments that will provide novel insights into the protein interactome in the context of human diseases.

scholarly journals MicroRNAs: Biological Regulators in Pathogen–Host Interactions

Cells ◽  
2020 ◽  
Vol 9 (1) ◽  
pp. 113 ◽  
Author(s):  
Stephanie Maia Acuña ◽  
Lucile Maria Floeter-Winter ◽  
Sandra Marcia Muxel
Keyword(s):  
Immune Response ◽  
Infectious Diseases ◽  
Small Rnas ◽  
Immune Cell ◽  
Fine Tuning ◽  
Biological Processes ◽  
Host Interactions ◽  
The Past ◽  
Biological Aspects

An inflammatory response is essential for combating invading pathogens. Several effector components, as well as immune cell populations, are involved in mounting an immune response, thereby destroying pathogenic organisms such as bacteria, fungi, viruses, and parasites. In the past decade, microRNAs (miRNAs), a group of noncoding small RNAs, have emerged as functionally significant regulatory molecules with the significant capability of fine-tuning biological processes. The important role of miRNAs in inflammation and immune responses is highlighted by studies in which the regulation of miRNAs in the host was shown to be related to infectious diseases and associated with the eradication or susceptibility of the infection. Here, we review the biological aspects of microRNAs, focusing on their roles as regulators of gene expression during pathogen–host interactions and their implications in the immune response against Leishmania, Trypanosoma, Toxoplasma, and Plasmodium infectious diseases.

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